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Compile Data Set for Download or QSAR

Found 543 hits of ic50 for UniProtKB: P54829   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103445
PNG
(CHEMBL3398243)
Show SMILES FC(F)(F)c1ccc2SSSSSc2c1
Show InChI InChI=1S/C7H3F3S5/c8-7(9,10)4-1-2-5-6(3-4)12-14-15-13-11-5/h1-3H
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n/an/a 10n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50067504
PNG
(CHEMBL3398246)
Show SMILES FC(F)(F)C(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C9H3F6NOS5/c10-8(11,12)3-1-4(16-7(17)9(13,14)15)6-5(2-3)18-20-22-21-19-6/h1-2H,(H,16,17)
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n/an/a 24n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50067512
PNG
(CHEMBL3401893)
Show SMILES Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C7H4F3NS5/c8-7(9,10)3-1-4(11)6-5(2-3)12-14-16-15-13-6/h1-2H,11H2
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of STEP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112131
BindingDB Entry DOI: 10.7270/Q21C21KH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103444
PNG
(CHEMBL3398244)
Show SMILES Cl.Cc1cc(N)c2SSSSSc2c1
Show InChI InChI=1S/C7H7NS5.ClH/c1-4-2-5(8)7-6(3-4)9-11-13-12-10-7;/h2-3H,8H2,1H3;1H
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n/an/a 25n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50067512
PNG
(CHEMBL3401893)
Show SMILES Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C7H4F3NS5/c8-7(9,10)3-1-4(11)6-5(2-3)12-14-16-15-13-6/h1-2H,11H2
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n/an/a 25n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103443
PNG
(CHEMBL3398245)
Show SMILES Cl.Nc1cccc2SSSSSc12
Show InChI InChI=1S/C6H5NS5.ClH/c7-4-2-1-3-5-6(4)9-11-12-10-8-5;/h1-3H,7H2;1H
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n/an/a 32n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103447
PNG
(CHEMBL3398250)
Show SMILES Cl.Cl.Nc1cc(cc2SSSc3c(N)cc(cc3SSSc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H8F6N2S6.2ClH/c15-13(16,17)5-1-7(21)11-9(3-5)23-28-26-12-8(22)2-6(14(18,19)20)4-10(12)24-27-25-11;;/h1-4H,21-22H2;2*1H
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n/an/a 33n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103448
PNG
(CHEMBL3398247)
Show SMILES CC(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C9H6F3NOS5/c1-4(14)13-6-2-5(9(10,11)12)3-7-8(6)16-18-19-17-15-7/h2-3H,1H3,(H,13,14)
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n/an/a 49n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103449
PNG
(CHEMBL3398248)
Show SMILES CCNc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C9H8F3NS5/c1-2-13-6-3-5(9(10,11)12)4-7-8(6)15-17-18-16-14-7/h3-4,13H,2H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103450
PNG
(CHEMBL3398249)
Show SMILES FC(F)(F)c1cc(NCc2ccccc2)c2SSSSSc2c1
Show InChI InChI=1S/C14H10F3NS5/c15-14(16,17)10-6-11(18-8-9-4-2-1-3-5-9)13-12(7-10)19-21-23-22-20-13/h1-7,18H,8H2
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n/an/a 78n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50103446
PNG
(CHEMBL3398251)
Show SMILES [O-][N+](=O)c1cc(cc2SSSc12)C(F)(F)F
Show InChI InChI=1S/C7H2F3NO2S3/c8-7(9,10)3-1-4(11(12)13)6-5(2-3)14-16-15-6/h1-2H
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n/an/a 145n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH


Bioorg Med Chem Lett 25: 1044-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.020
BindingDB Entry DOI: 10.7270/Q2QN68JF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM61325
PNG
(1-N,3-N-bis(2-hydroxy-5-nitrophenyl)benzene-1,3-di...)
Show SMILES Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O8/c25-17-6-4-13(23(29)30)9-15(17)21-19(27)11-2-1-3-12(8-11)20(28)22-16-10-14(24(31)32)5-7-18(16)26/h1-10,25-26H,(H,21,27)(H,22,28)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM59546
PNG
(3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chrom...)
Show SMILES Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H19ClO5/c1-12-15-7-9-18(26-11-14-5-3-4-6-17(14)22)13(2)20(15)27-21(25)16(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM51767
PNG
(2-[(4-methyl-2-quinolyl)thio]-N-[5-(p-tolyl)-1,2,4...)
Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
Show InChI InChI=1S/C21H18N4OS2/c1-13-7-9-15(10-8-13)20-24-21(25-28-20)23-18(26)12-27-19-11-14(2)16-5-3-4-6-17(16)22-19/h3-11H,12H2,1-2H3,(H,23,25,26)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 3.86E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 3.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM40987
PNG
(MLS000109444 | N-[(4E)-4-(3H-1,3-benzoxazol-2-ylid...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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US Patent
n/an/a 4.00E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin)


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM51775
PNG
(2-[2-[(N''E)-N''-[4-(2,4-dichlorobenzyl)oxy-3-etho...)
Show SMILES CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
Show InChI InChI=1S/C21H19Cl2N3O5S/c1-2-30-17-7-12(10-24-26-21-25-20(29)18(32-21)9-19(27)28)3-6-16(17)31-11-13-4-5-14(22)8-15(13)23/h3-8,29H,2,9-11H2,1H3,(H,27,28)
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n/an/a 4.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM84008
PNG
(2-[[4-[2-[(4-methylsulfanylphenyl)methylidene]hydr...)
Show SMILES CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
Show InChI InChI=1S/C21H18N4O6S2/c1-32-15-8-6-14(7-9-15)13-22-23-19-11-10-16(12-20(19)25(28)29)33(30,31)24-18-5-3-2-4-17(18)21(26)27/h2-12,24H,13H2,1H3,(H,26,27)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM47086
PNG
(2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quina...)
Show SMILES Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
Show InChI InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)17-15-19-20-14(21)12-7-2-3-8-13(12)18-16(20)22-15/h2-9H,1H3,(H,17,19)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM51776
PNG
(MLS000683996 | N-(3-carbamoyl-6-methyl-4,5,6,7-tet...)
Show SMILES COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O
Show InChI InChI=1S/C12H16N2O3S/c1-6-3-4-7-8(5-6)18-11(9(7)10(13)15)14-12(16)17-2/h6H,3-5H2,1-2H3,(H2,13,15)(H,14,16)
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n/an/a 4.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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n/an/a 4.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50501247
PNG
(CHEMBL3934460)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12
Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H
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n/an/a 4.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM84008
PNG
(2-[[4-[2-[(4-methylsulfanylphenyl)methylidene]hydr...)
Show SMILES CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
Show InChI InChI=1S/C21H18N4O6S2/c1-32-15-8-6-14(7-9-15)13-22-23-19-11-10-16(12-20(19)25(28)29)33(30,31)24-18-5-3-2-4-17(18)21(26)27/h2-12,24H,13H2,1H3,(H,26,27)
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n/an/a 4.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50522587
PNG
(CHEMBL4453551)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1
Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-14-15-26(37-25)39(34,35)30-19-10-8-18(9-11-19)27-29-22-16-20(12-13-23(22)36-27)31-38(32,33)24-7-3-5-17-4-1-2-6-21(17)24/h1-16,30-31H
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n/an/a 5.10E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM46223
PNG
((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3
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n/an/a 5.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM61241
PNG
(2-[7-(2-chloro-4-fluoro-benzyl)oxy-2-keto-4,8-dime...)
Show SMILES Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12
Show InChI InChI=1S/C20H16ClFO5/c1-10-14-5-6-17(26-9-12-3-4-13(22)7-16(12)21)11(2)19(14)27-20(25)15(10)8-18(23)24/h3-7H,8-9H2,1-2H3,(H,23,24)
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n/an/a 5.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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n/an/a 5.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM81074
PNG
(1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...)
Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1
Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)
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n/an/a 6.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50522527
PNG
(CHEMBL4171392)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2o1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,29-16-11-22-5-1-3-7-25(22)19-29)35-27-13-9-24(10-14-27)33-34-31-21-28(15-18-32(31)41-33)36-43(39,40)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,35-36H
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n/an/a 6.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM59546
PNG
(3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chrom...)
Show SMILES Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H19ClO5/c1-12-15-7-9-18(26-11-14-5-3-4-6-17(14)22)13(2)20(15)27-21(25)16(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50328746
PNG
(4-hydroxy-6-(phenylamino)naphthalene-2-sulfonate |...)
Show SMILES Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
Show InChI InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
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n/an/a 6.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88787
PNG
((2Z)-2-(salicyloylhydrazono)chromene-3-carboxamide...)
Show SMILES NC(=O)c1cc2ccccc2o\c1=N/NC(=O)c1ccccc1O
Show InChI InChI=1S/C17H13N3O4/c18-15(22)12-9-10-5-1-4-8-14(10)24-17(12)20-19-16(23)11-6-2-3-7-13(11)21/h1-9,21H,(H2,18,22)(H,19,23)/b20-17-
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n/an/a 6.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM51772
PNG
(MLS000665240 | N-(4-bromophenyl)-2-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)12(18)15-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,18)
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n/an/a 6.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88797
PNG
(2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...)
Show SMILES COc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C23H22N2O6S2/c1-13-4-6-16(8-14(13)2)24-20(26)12-31-17-7-5-15(9-18(17)30-3)10-19-22(29)25(11-21(27)28)23(32)33-19/h4-10H,11-12H2,1-3H3,(H,24,26)(H,27,28)/b19-10+
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n/an/a 6.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88730
PNG
(MLS000574482 | N-[5-(1H-benzimidazol-2-yl)-2-chlor...)
Show SMILES CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cc(ccc1Cl)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17ClN4O4/c1-2-31-20-10-8-14(12-19(20)27(29)30)22(28)26-18-11-13(7-9-15(18)23)21-24-16-5-3-4-6-17(16)25-21/h3-12H,2H2,1H3,(H,24,25)(H,26,28)
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n/an/a 6.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a 6.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM54150
PNG
(2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfany...)
Show SMILES Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C17H10BrN3O2S2/c18-11-5-3-10(4-6-11)13(22)9-25-17-20-15(14-2-1-7-24-14)12(8-19)16(23)21-17/h1-7H,9H2,(H,20,21,23)
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n/an/a 6.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88769
PNG
(4-[2-(dimethylamino)ethyl-[(4-phenoxyanilino)-sulf...)
Show SMILES CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H34N4O3S/c1-4-31-25(30)28-16-14-21(15-17-28)29(19-18-27(2)3)24(33)26-20-10-12-23(13-11-20)32-22-8-6-5-7-9-22/h5-13,21H,4,14-19H2,1-3H3,(H,26,33)
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n/an/a 6.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
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n/an/a 6.95E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM61325
PNG
(1-N,3-N-bis(2-hydroxy-5-nitrophenyl)benzene-1,3-di...)
Show SMILES Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O8/c25-17-6-4-13(23(29)30)9-15(17)21-19(27)11-2-1-3-12(8-11)20(28)22-16-10-14(24(31)32)5-7-18(16)26/h1-10,25-26H,(H,21,27)(H,22,28)
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n/an/a 7.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM82761
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1...)
Show SMILES [O-][N+](=O)c1cc(\C=N\NC(=O)c2ccc3OCCOc3c2)ccc1Cl
Show InChI InChI=1S/C16H12ClN3O5/c17-12-3-1-10(7-13(12)20(22)23)9-18-19-16(21)11-2-4-14-15(8-11)25-6-5-24-14/h1-4,7-9H,5-6H2,(H,19,21)/b18-9+
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n/an/a 7.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM82604
PNG
(4-(dimethylamino)benzoic acid [2-keto-2-(4-sulfamo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O5S/c1-20(2)14-7-3-12(4-8-14)17(22)25-11-16(21)19-13-5-9-15(10-6-13)26(18,23)24/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,23,24)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM50564155
PNG
(CHEMBL4792956)
Show SMILES [#6]-c1cc(ccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1)-[#6](-[#8])=O
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged striatal-enriched protein tyrosine phosphatase (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112131
BindingDB Entry DOI: 10.7270/Q21C21KH
More data for this
Ligand-Target Pair
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